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Title: Materials Data on BaO by Materials Project

Abstract

BaO is Molybdenum Carbide MAX Phase-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Ba2+ is bonded to six equivalent O2- atoms to form a mixture of distorted corner and edge-sharing BaO6 pentagonal pyramids. All Ba–O bond lengths are 2.78 Å. O2- is bonded to six equivalent Ba2+ atoms to form a mixture of corner, edge, and face-sharing OBa6 octahedra. The corner-sharing octahedral tilt angles are 47°.

Authors:
Publication Date:
Other Number(s):
mp-1008500
DOE Contract Number:  
AC02-05CH11231; EDCBEE
Research Org.:
Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). LBNL Materials Project
Sponsoring Org.:
USDOE Office of Science (SC), Basic Energy Sciences (BES)
Collaborations:
MIT; UC Berkeley; Duke; U Louvain
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; BaO; Ba-O
OSTI Identifier:
1325047
DOI:
https://doi.org/10.17188/1325047

Citation Formats

The Materials Project. Materials Data on BaO by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1325047.
The Materials Project. Materials Data on BaO by Materials Project. United States. doi:https://doi.org/10.17188/1325047
The Materials Project. 2020. "Materials Data on BaO by Materials Project". United States. doi:https://doi.org/10.17188/1325047. https://www.osti.gov/servlets/purl/1325047. Pub date:Thu Jul 16 00:00:00 EDT 2020
@article{osti_1325047,
title = {Materials Data on BaO by Materials Project},
author = {The Materials Project},
abstractNote = {BaO is Molybdenum Carbide MAX Phase-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Ba2+ is bonded to six equivalent O2- atoms to form a mixture of distorted corner and edge-sharing BaO6 pentagonal pyramids. All Ba–O bond lengths are 2.78 Å. O2- is bonded to six equivalent Ba2+ atoms to form a mixture of corner, edge, and face-sharing OBa6 octahedra. The corner-sharing octahedral tilt angles are 47°.},
doi = {10.17188/1325047},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}